CID 491877

Chembl1916453

Structural Information

Molecular Formula
C29H22N2O
SMILES
COC(C1=CC=CC=C1)C2=C3C=C(C=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C#N
InChI
InChI=1S/C29H22N2O/c1-32-29(24-15-9-4-10-16-24)27-25-19-21(20-30)17-18-31(25)28(23-13-7-3-8-14-23)26(27)22-11-5-2-6-12-22/h2-19,29H,1H3
InChIKey
WFIILBSWMROYNG-UHFFFAOYSA-N
Compound name
1-[methoxy(phenyl)methyl]-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

414.17322 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18050 212.4
[M+Na]+ 437.16244 223.1
[M-H]- 413.16594 220.7
[M+NH4]+ 432.20704 221.3
[M+K]+ 453.13638 210.4
[M+H-H2O]+ 397.17048 194.3
[M+HCOO]- 459.17142 229.0
[M+CH3COO]- 473.18707 219.5
[M+Na-2H]- 435.14789 211.8
[M]+ 414.17267 208.2
[M]- 414.17377 208.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.